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75414-00-5

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Basic Information
CAS No.: 75414-00-5
Name: 6-(TRIFLUOROMETHYL)-1,2,3,4-TETRAHYDROQUINOLINE
Article Data: 7
Molecular Structure:
Molecular Structure of 75414-00-5 (6-(TRIFLUOROMETHYL)-1,2,3,4-TETRAHYDROQUINOLINE)
Formula: C10H10F3N
Molecular Weight: 201.19
Synonyms: 6-trifluoromethyl-1,2,3,4-tetrahydroquinoline;
Density: 1.213 g/cm3
Boiling Point: 241.169 °C at 760 mmHg
Flash Point: 99.656 °C
PSA: 12.03000
LogP: 3.20150
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Specification

This product is an organic compound with the formula C10H10F3N. The systematic name of this chemical is 6-Trifluoromethyl-1,2,3,4-tetrahydroquinoline. With the CAS registry number 75414-00-5, its molecular weight is 201.19.

Physical properties of 6-Trifluoromethyl-1,2,3,4-tetrahydroquinoline are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 190; (6)ACD/BCF (pH 7.4): 190; (7)ACD/KOC (pH 5.5): 1486; (8)ACD/KOC (pH 7.4): 1490; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.03 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 46.755 cm3; (15)Molar Volume: 165.806 cm3; (16)Polarizability: 18.535×10-24 cm3; (17)Surface Tension: 28.624 dyne/cm; (18)Density: 1.213 g/cm3; (19)Flash Point: 99.656 °C; (20)Enthalpy of Vaporization: 47.811 kJ/mol; (21)Boiling Point: 241.169 °C at 760 mmHg; (22)Vapour Pressure: 0.036 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc2NCCCc2c1
(2)InChI: InChI=1S/C10H10F3N/c11-10(12,13)8-3-4-9-7(6-8)2-1-5-14-9/h3-4,6,14H,1-2,5H2
(3)InChIKey: SQJQPDGTZCRFBC-UHFFFAOYSA-N